Molecule
ID:99320
General Information
Molecular Formula
C₇H₃F₂IO₂
Molecular Mass
283.9987964
Exact Mass
283.91458378
Charge
0
InChI
InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChIKey
NHXDCVFTXJVUGK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(cc1I)F
Isomeric Smiles
O=C(c1c(cc(c(c1)F)F)I)O
Calculated Properties
JChem
Acid pKa
3.1533227
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.52416235
LogD (pH = 7.4)
-0.60812116
Log P
2.8451772
Molar Refractivity
47.1095
Polarizability
17.838268
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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